Compound Detail
CHEMBL1397706
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Basic Information
| ChEMBL ID | CHEMBL1397706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPAXVHIAQIXNAM-ABLWVSNPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
1.69
ALogP
4
HBA
1
HBD
35.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 4.28 | 4.28 | 52346.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 8 | IC50 | = | 10700.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 11900.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 14300.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 52346.0 | nM | 4.28 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of PP5: fluorescence-based bioche... | - |
Data from ChEMBL 36 via Core Engine